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6''-Debromo-(trans)-3,4-dihydro-hamacanthin A

View entire compound with spectra: 1 MS (GC)

6''-Debromo-(trans)-3,4-dihydro-hamacanthin A
SpectraBase Compound ID DEjm5w1EdMr
InChI InChI=1S/C20H17BrN4O/c21-11-5-6-13-15(9-23-17(13)7-11)19-20(26)25-18(10-24-19)14-8-22-16-4-2-1-3-12(14)16/h1-9,18-19,22-24H,10H2,(H,25,26)
InChIKey PZUOTISMYYMQAB-UHFFFAOYSA-N
Mol Weight 409.29 g/mol
Molecular Formula C20H17BrN4O
Exact Mass 408.058574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jmwNkXoZlW
Name 6''-Debromo-(trans)-3,4-dihydro-hamacanthin A
Alternate Name(s) 6-[6'-Bromoindol-3'-yl]-3-[indol-3''-yl)carbonyl]-(hexahydro)-1,4-pyrazine 3-(6-bromo-1H-indol-3-yl)-6-(1H-indol-3-yl)-2-piperazinone 3-(6-bromanyl-1H-indol-3-yl)-6-(1H-indol-3-yl)piperazin-2-one
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Formula C20H17BrN4O
InChI InChI=1S/C20H17BrN4O/c21-11-5-6-13-15(9-23-17(13)7-11)19-20(26)25-18(10-24-19)14-8-22-16-4-2-1-3-12(14)16/h1-9,18-19,22-24H,10H2,(H,25,26)
InChIKey PZUOTISMYYMQAB-UHFFFAOYSA-N
Molecular Weight 409.287 g/mol
SMILES N1C(c2c[nH]c3c2cccc3)CNC(C1=O)c1c[nH]c2c1ccc(c2)Br
SPLASH splash10-00kb-0950000000-c003efc29309310b7a3c
Source of Spectrum G4-63-451-13
Wiley ID 1608322